N-(2-amino-2-oxoethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide

C25H19F3N2O3 — CID 59193738

IUPACN-(2-amino-2-oxoethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide
SMILESNC(=O)CNC(=O)c1cccc(-c2cccc3oc(Cc4cccc(C(F)(F)F)c4)cc23)c1
InChIInChI=1S/C25H19F3N2O3/c26-25(27,28)18-7-1-4-15(10-18)11-19-13-21-20(8-3-9-22(21)33-19)16-5-2-6-17(12-16)24(32)30-14-23(29)31/h1-10,12-13H,11,14H2,(H2,29,31)(H,30,32)
InChIKeyMLDMYCSNBKXXLZ-UHFFFAOYSA-N
MW452.43 g/mol
LogP4.92
Rot. Bonds6

About N-(2-amino-2-oxoethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide

N-(2-amino-2-oxoethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide (PubChem CID 59193738) has the molecular formula C25H19F3N2O3 and a molecular weight of 452.43 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide
PubChem CID59193738
Molecular FormulaC25H19F3N2O3
Molecular Weight452.43 g/mol
Exact Mass452.13
IUPAC NameN-(2-amino-2-oxoethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide
SMILESNC(=O)CNC(=O)c1cccc(-c2cccc3oc(Cc4cccc(C(F)(F)F)c4)cc23)c1
InChIInChI=1S/C25H19F3N2O3/c26-25(27,28)18-7-1-4-15(10-18)11-19-13-21-20(8-3-9-22(21)33-19)16-5-2-6-17(12-16)24(32)30-14-23(29)31/h1-10,12-13H,11,14H2,(H2,29,31)(H,30,32)
InChIKeyMLDMYCSNBKXXLZ-UHFFFAOYSA-N
XLogP4.92
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.43
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide (CID 59193738) is N-(2-amino-2-oxoethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide is NC(=O)CNC(=O)c1cccc(-c2cccc3oc(Cc4cccc(C(F)(F)F)c4)cc23)c1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide?
The InChIKey is MLDMYCSNBKXXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N2O3/c26-25(27,28)18-7-1-4-15(10-18)11-19-13-21-20(8-3-9-22(21)33-19)16-5-2-6-17(12-16)24(32)30-14-23(29)31/h1-10,12-13H,11,14H2,(H2,29,31)(H,30,32).
What are the key properties of N-(2-amino-2-oxoethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide?
N-(2-amino-2-oxoethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide has a molecular weight of 452.43 g/mol, XLogP of 4.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide is sourced from PubChem (CID 59193738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).